Vitas-M small molecule compound

4-{(2-fluorobenzyl)[(4-phenyl-2-thioxoimidazolidin-1-yl)acetyl]amino}-1-methyl-N-[4-(morpholin-4-yl)phenyl]piperidine-4-carboxamide

Catalog ID
STL447061
SMILES CN1CCC(CC1)(C(=O)Nc1ccc(cc1)N1CCOCC1)N(C(=O)CN1CC(NC1=S)c1ccccc1)Cc1ccccc1F

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C35H41FN6O3S MW 644.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41FN6O3S/c1-39-17-15-35(16-18-39,33(44)37-28-11-13-29(14-12-28)40-19-21-45-22-20-40)42(23-27-9-5-6-10-30(27)36)32(43)25-41-24-31(38-34(41)46)26-7-3-2-4-8-26/h2-14,31H,15-25H2,1H3,(H,37,44)(H,38,46)
InChIKey
XIIYNOIHKVMRGR-UHFFFAOYSA-N
Synonyms

4((2fluorobenzyl)((4phenyl2thioxoimidazolidin1yl)acetyl)amino)1methylN(4(morpholin4yl)phenyl)piperidine4carboxamide
4((2FLUOROPHENYL)METHYL(2(4PHENYL2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETYL)AMINO)1METHYLN(4MORPHOLIN4YLPHENYL)PIPERIDINE4CARBOXAMIDE
4(N(2FLUOROBENZYL)2(4PHENYL2THIOXOIMIDAZOLIDIN1YL)ACETAMIDO)1METHYLN(4MORPHOLINOPHENYL)PIPERIDINE4CARBOXAMIDE
CN1CCC(CC1)(C(=O)NC2=CC=C(C=C2)N3CCOCC3)N(CC4=CC=CC=C4F)C(=O)CN5CC(NC5=S)C6=CC=CC=C6
InChI=1SC35H41FN6O3Sc139171535(16183933(44)3728111329(141228)40192145222040)42(23279561030(27)36)32(43)25412431(3834(41)46)267324826h21431H1525H21H3(H3744)(H3846)
MFCD06240615
ZINC000150346451
ZINC000150346455

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.